bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol

C66H60N8O14 — CID 139199235

IUPACbis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol
SMILESCC#N.CC#N.CC1c2cc(c(O)c(O)c2O)[C@H](C)c2cc(c(O)c(O)c2O)C(C)c2cc(c(O)c(O)c2O)[C@@H](C)c2cc1c(O)c(O)c2O.Oc1ccc2ccccc2c1/N=N/c1ccccn1.Oc1ccc2ccccc2c1/N=N/c1ccccn1
InChIInChI=1S/C32H32O12.2C15H11N3O.2C2H3N/c1-9-13-5-15(23(35)29(41)21(13)33)10(2)17-7-19(27(39)31(43)25(17)37)12(4)20-8-18(26(38)32(44)28(20)40)11(3)16-6-14(9)22(34)30(42)24(16)36;2*19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14;2*1-2-3/h5-12,33-44H,1-4H3;2*1-10,19H;2*1H3/b;2*18-17+;;/t9-,10?,11?,12-;;;;
InChIKeyHLPNPJMAMBQHLC-WXHMRSLESA-N
MW1189.25 g/mol
LogP14.85
Rot. Bonds4

About bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol

bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol (PubChem CID 139199235) has the molecular formula C66H60N8O14 and a molecular weight of 1189.25 g/mol. Its IUPAC name is bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol.

Molecular Properties

Compound Namebis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol
PubChem CID139199235
Molecular FormulaC66H60N8O14
Molecular Weight1189.25 g/mol
Exact Mass1188.42
IUPAC Namebis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol
SMILESCC#N.CC#N.CC1c2cc(c(O)c(O)c2O)[C@H](C)c2cc(c(O)c(O)c2O)C(C)c2cc(c(O)c(O)c2O)[C@@H](C)c2cc1c(O)c(O)c2O.Oc1ccc2ccccc2c1/N=N/c1ccccn1.Oc1ccc2ccccc2c1/N=N/c1ccccn1
InChIInChI=1S/C32H32O12.2C15H11N3O.2C2H3N/c1-9-13-5-15(23(35)29(41)21(13)33)10(2)17-7-19(27(39)31(43)25(17)37)12(4)20-8-18(26(38)32(44)28(20)40)11(3)16-6-14(9)22(34)30(42)24(16)36;2*19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14;2*1-2-3/h5-12,33-44H,1-4H3;2*1-10,19H;2*1H3/b;2*18-17+;;/t9-,10?,11?,12-;;;;
InChIKeyHLPNPJMAMBQHLC-WXHMRSLESA-N
XLogP14.85
TPSA406.02 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds4
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001189.25
LogP ≤ 514.85
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol?
The IUPAC name of bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol (CID 139199235) is bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol.
What is the SMILES notation for bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol?
The canonical SMILES for bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol is CC#N.CC#N.CC1c2cc(c(O)c(O)c2O)[C@H](C)c2cc(c(O)c(O)c2O)C(C)c2cc(c(O)c(O)c2O)[C@@H](C)c2cc1c(O)c(O)c2O.Oc1ccc2ccccc2c1/N=N/c1ccccn1.Oc1ccc2ccccc2c1/N=N/c1ccccn1.
What is the InChIKey of bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol?
The InChIKey is HLPNPJMAMBQHLC-WXHMRSLESA-N. The full InChI is InChI=1S/C32H32O12.2C15H11N3O.2C2H3N/c1-9-13-5-15(23(35)29(41)21(13)33)10(2)17-7-19(27(39)31(43)25(17)37)12(4)20-8-18(26(38)32(44)28(20)40)11(3)16-6-14(9)22(34)30(42)24(16)36;2*19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14;2*1-2-3/h5-12,33-44H,1-4H3;2*1-10,19H;2*1H3/b;2*18-17+;;/t9-,10?,11?,12-;;;;.
What are the key properties of bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol?
bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol has a molecular weight of 1189.25 g/mol, XLogP of 14.85, 4 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(1-(pyridin-2-yldiazenyl)naphthalen-2-ol);2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,5,6,10,11,12,16,17,18,22,23,24-dodecol is sourced from PubChem (CID 139199235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).